N-cyclohexyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0173 |
| Compound Name: | N-cyclohexyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C28 H31 N5 O3 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCC(c1ccc(C)cc1)=O)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7749 |
| logD: | 4.7749 |
| logSw: | -4.5019 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.948 |
| InChI Key: | VSZOOWMSHCCSJF-UHFFFAOYSA-N |